| SpectraBase Compound ID | IABdPwOLPx9 |
|---|---|
| InChI | InChI=1S/C80H140N20O20/c1-26-27-28-29-30-31-32-33-34-39-52(101)44(4)62(110)100-41-36-38-51(100)60(108)95-79(22,23)70(119)99-80(24,25)71(120)98-77(18,19)67(116)89-48(8)58(106)94-74(12,13)65(114)88-46(6)56(104)91-54(43(2)3)61(109)96-75(14,15)68(117)90-50(37-35-40-83-72(81)82)59(107)85-47(7)57(105)93-73(10,11)64(113)84-42-53(102)92-78(20,21)69(118)97-76(16,17)66(115)87-45(5)55(103)86-49(9)63(111)112/h43-51,54H,26-42H2,1-25H3,(H,84,113)(H,85,107)(H,86,103)(H,87,115)(H,88,114)(H,89,116)(H,90,117)(H,91,104)(H,92,102)(H,93,105)(H,94,106)(H,95,108)(H,96,109)(H,97,118)(H,98,120)(H,99,119)(H,111,112)(H4,81,82,83) |
| InChIKey | MWFWZUGNRBTIRM-UHFFFAOYSA-N |
| Mol Weight | 1702.1 g/mol |
| Molecular Formula | C80H140N20O20 |
| Exact Mass | 1701.055277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXgndErH197 |
|---|---|
| Name | SCH-466457 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H140N20O20 |
| InChI | InChI=1S/C80H140N20O20/c1-26-27-28-29-30-31-32-33-34-39-52(101)44(4)62(110)100-41-36-38-51(100)60(108)95-79(22,23)70(119)99-80(24,25)71(120)98-77(18,19)67(116)89-48(8)58(106)94-74(12,13)65(114)88-46(6)56(104)91-54(43(2)3)61(109)96-75(14,15)68(117)90-50(37-35-40-83-72(81)82)59(107)85-47(7)57(105)93-73(10,11)64(113)84-42-53(102)92-78(20,21)69(118)97-76(16,17)66(115)87-45(5)55(103)86-49(9)63(111)112/h43-51,54H,26-42H2,1-25H3,(H,84,113)(H,85,107)(H,86,103)(H,87,115)(H,88,114)(H,89,116)(H,90,117)(H,91,104)(H,92,102)(H,93,105)(H,94,106)(H,95,108)(H,96,109)(H,97,118)(H,98,120)(H,99,119)(H,111,112)(H4,81,82,83) |
| InChIKey | MWFWZUGNRBTIRM-UHFFFAOYSA-N |
| Literature Reference Author | V.R.HEDGE,J.SILVER,M.PATEL,V.P.GULLO,R.YARBOROUGH,E.HUANG,P. R.DAS,M.S.PUAR,B.J.D |
| Literature Reference Citation | J.ANTIBIOTICS,54,74(2001) |
| Literature Reference DOI | 10.7164/antibiotics.54.74 |
| Molecular Weight | 1702.114 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI1416 |